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3X1Z
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BU of 3x1z by Molmil
Ras-related protein Rap1B(T65A) with GppNHp
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S.
登録日2014-12-02
公開日2015-06-03
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The structure and conformational switching of Rap1B
Biochem.Biophys.Res.Commun., 462, 2015
3ZJZ
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BU of 3zjz by Molmil
Open-form NavMS Sodium Channel Pore (with C-terminal Domain)
分子名称: DODECAETHYLENE GLYCOL, HEGA-10, ION TRANSPORT PROTEIN, ...
著者Bagneris, C, Naylor, C.E, Wallace, B.A.
登録日2013-01-21
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Role of the C-Terminal Domain in the Structure and Function of Tetrameric Sodium Channels.
Nat.Commun., 4, 2013
3WYG
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BU of 3wyg by Molmil
Crystal structure of Xpo1p-PKI-Gsp1p-GTP complex
分子名称: Exportin-1, GUANOSINE-5'-TRIPHOSPHATE, Gsp1p, ...
著者Koyama, M, Shirai, N, Matsuura, Y.
登録日2014-08-26
公開日2014-11-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insights into how yrb2p accelerates the assembly of the xpo1p nuclear export complex
Cell Rep, 9, 2014
3ZK8
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CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
登録日2013-01-22
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
4NQJ
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BU of 4nqj by Molmil
Structure of coiled-coil domain
分子名称: DODECYL-BETA-D-MALTOSIDE, E3 ubiquitin-protein ligase TRIM69
著者Yang, M, Li, Y.
登録日2013-11-25
公開日2014-05-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Structural insights into the TRIM family of ubiquitin E3 ligases.
Cell Res., 24, 2014
3ZK9
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BU of 3zk9 by Molmil
CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
著者Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A.
登録日2013-01-22
公開日2013-11-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
3ZO1
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BU of 3zo1 by Molmil
The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors
分子名称: 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I.
登録日2013-02-20
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
4NKA
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BU of 4nka by Molmil
Crystal structure of human fibroblast growth factor receptor 1 kinase domain in complex with pyrazolaminopyrimidine 2
分子名称: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N~4~-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, ...
著者Norman, R.A, Klein, T.
登録日2013-11-12
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.
ACS Med Chem Lett, 5, 2014
4NM0
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BU of 4nm0 by Molmil
Crystal structure of peptide inhibitor-free GSK-3/Axin complex
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ...
著者Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
登録日2013-11-14
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4A55
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BU of 4a55 by Molmil
Crystal structure of p110alpha in complex with iSH2 of p85alpha and the inhibitor PIK-108
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, PIK-108
著者Hon, W.-C, Berndt, A, Williams, R.L.
登録日2011-10-24
公開日2011-12-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Regulation of Lipid Binding Underlies the Activation Mechanism of Class Ia Pi3-Kinases.
Oncogene, 31, 2012
5UOX
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BU of 5uox by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5UT3
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BU of 5ut3 by Molmil
JAK2 JH2 in complex with IKK-2 Inhibitor VI
分子名称: 5-PHENYL-2-UREIDOTHIOPHENE-3-CARBOXAMIDE, ACETATE ION, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
4NP7
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BU of 4np7 by Molmil
Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter with diethyl thiophosphate bound in the active site
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
著者Jackson, C.J, Carr, P.D, Sugrue, E.
登録日2013-11-20
公開日2014-09-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A 5000-fold increase in the specificity of a bacterial phosphotriesterase for malathion through combinatorial active site mutagenesis
Plos One, 9, 2014
5UT2
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BU of 5ut2 by Molmil
JAK2 JH2 in complex with PRT062607
分子名称: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ACETATE ION, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
5UOR
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BU of 5uor by Molmil
Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure
分子名称: 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5, SULFATE ION
著者Dougan, D.R.
登録日2017-02-01
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure.
ACS Med Chem Lett, 8, 2017
5USZ
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BU of 5usz by Molmil
JAK2 JH2 in complex with JNJ-7706621
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
5UT4
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BU of 5ut4 by Molmil
JAK2 JH2 in complex with NVP-BSK805
分子名称: 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
4AC1
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BU of 4ac1 by Molmil
The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE, ...
著者Stals, I, Karkehabadi, S, Devreese, B, Kim, S, Ward, M, Sandgren, M.
登録日2011-12-12
公開日2012-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High Resolution Crystal Structure of the Endo-N-Acetyl-Beta- D-Glucosaminidase Responsible for the Deglycosylation of Hypocrea Jecorina Cellulases.
Plos One, 7, 2012
4AI6
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BU of 4ai6 by Molmil
Dynein Motor Domain - ADP complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA ISOZYME, ...
著者Schmidt, H, Gleave, E.S, Carter, A.P.
登録日2012-02-08
公開日2012-03-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Insights Into Dynein Motor Domain Function from a 3.3 Angstrom Crystal Structure
Nat.Struct.Mol.Biol., 19, 2012
4OO9
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Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ...
著者Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H.
登録日2014-01-31
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
5UT1
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JAK2 JH2 in complex with BI-D1870
分子名称: (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Tyrosine-protein kinase JAK2
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders.
ACS Med Chem Lett, 8, 2017
5UT6
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JAK2 JH2 in complex with a diaminopyrimidine
分子名称: 4-({4-amino-6-[3-(hydroxymethyl)-1H-pyrazol-1-yl]pyrimidin-2-yl}amino)benzonitrile, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Puleo, D.E, Schlessinger, J.
登録日2017-02-14
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules.
ACS Med Chem Lett, 8, 2017
4OVD
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BU of 4ovd by Molmil
Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
分子名称: CALCIUM ION, Peptidoglycan glycosyltransferase
著者Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-02-21
公開日2014-03-12
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
To be Published
4ALF
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BU of 4alf by Molmil
Pseudomonas fluorescens PhoX in complex with phosphate
分子名称: 1,2-ETHANEDIOL, ALKALINE PHOSPHATASE PHOX, CALCIUM ION, ...
著者Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C.
登録日2012-03-02
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry
Science, 345, 2014
4AFI
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BU of 4afi by Molmil
Complex between Vamp7 longin domain and fragment of delta-adaptin from AP3
分子名称: AP-3 COMPLEX SUBUNIT DELTA-1, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7, PRASEODYMIUM ION
著者Kent, H.M, Evans, P.R, Luzio, J.P, Peden, A.A, Owen, D.J.
登録日2012-01-19
公開日2012-05-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of the Intracellular Sorting of the Snare Vamp7 by the Ap3 Adaptor Complex
Dev.Cell, 22, 2012

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